OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::HullFinder Class Reference

#include <HullFinder.hpp>

Public Member Functions

 HullFinder (SimInfo *si)
 
 ~HullFinder ()
 
SelectionSet findHull ()
 
SelectionSet findHull (int frame)
 
RealType getSurfaceArea ()
 

Public Attributes

SimInfoinfo_
 
std::vector< StuntDouble * > stuntdoubles_
 
std::vector< Bond * > bonds_
 
std::vector< Bend * > bends_
 
std::vector< Torsion * > torsions_
 
std::vector< Inversion * > inversions_
 
std::vector< Molecule * > molecules_
 
vector< int > nObjects_
 
HullsurfaceMesh_
 
RealType surfaceArea_
 
std::vector< StuntDouble * > localSites_
 

Detailed Description

Definition at line 52 of file HullFinder.hpp.

Constructor & Destructor Documentation

◆ HullFinder()

◆ ~HullFinder()

OpenMD::HullFinder::~HullFinder ( )

Definition at line 131 of file HullFinder.cpp.

References surfaceMesh_.

Member Function Documentation

◆ findHull() [1/2]

◆ findHull() [2/2]

◆ getSurfaceArea()

RealType OpenMD::HullFinder::getSurfaceArea ( )
inline

Definition at line 59 of file HullFinder.hpp.

References surfaceArea_.

Referenced by OpenMD::SelectionEvaluator::hull().

Member Data Documentation

◆ bends_

std::vector<Bend*> OpenMD::HullFinder::bends_

Definition at line 64 of file HullFinder.hpp.

Referenced by HullFinder().

◆ bonds_

std::vector<Bond*> OpenMD::HullFinder::bonds_

Definition at line 63 of file HullFinder.hpp.

Referenced by HullFinder().

◆ info_

SimInfo* OpenMD::HullFinder::info_

Definition at line 61 of file HullFinder.hpp.

Referenced by HullFinder().

◆ inversions_

std::vector<Inversion*> OpenMD::HullFinder::inversions_

Definition at line 66 of file HullFinder.hpp.

Referenced by HullFinder().

◆ localSites_

std::vector<StuntDouble*> OpenMD::HullFinder::localSites_

Definition at line 72 of file HullFinder.hpp.

Referenced by findHull(), and HullFinder().

◆ molecules_

std::vector<Molecule*> OpenMD::HullFinder::molecules_

Definition at line 67 of file HullFinder.hpp.

Referenced by HullFinder().

◆ nObjects_

vector<int> OpenMD::HullFinder::nObjects_

Definition at line 68 of file HullFinder.hpp.

Referenced by findHull(), and HullFinder().

◆ stuntdoubles_

std::vector<StuntDouble*> OpenMD::HullFinder::stuntdoubles_

Definition at line 62 of file HullFinder.hpp.

Referenced by HullFinder().

◆ surfaceArea_

RealType OpenMD::HullFinder::surfaceArea_

Definition at line 71 of file HullFinder.hpp.

Referenced by findHull(), and getSurfaceArea().

◆ surfaceMesh_

Hull* OpenMD::HullFinder::surfaceMesh_

Definition at line 70 of file HullFinder.hpp.

Referenced by findHull(), HullFinder(), and ~HullFinder().

◆ torsions_

std::vector<Torsion*> OpenMD::HullFinder::torsions_

Definition at line 65 of file HullFinder.hpp.

Referenced by HullFinder().


The documentation for this class was generated from the following files: